2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide

C15H23N3O2 — CID 43574807

IUPAC2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CCCOc1ccc(N)cc1)CC(=O)NC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(19)17-13-5-6-13)9-2-10-20-14-7-3-12(16)4-8-14/h3-4,7-8,13H,2,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyLAHFESGYNSZKAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds8

About 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide

2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide (PubChem CID 43574807) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
PubChem CID43574807
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CCCOc1ccc(N)cc1)CC(=O)NC1CC1
InChIInChI=1S/C15H23N3O2/c1-18(11-15(19)17-13-5-6-13)9-2-10-20-14-7-3-12(16)4-8-14/h3-4,7-8,13H,2,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyLAHFESGYNSZKAY-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide
CID 43574806
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-cyclopropyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 8909311
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
2-[2-(2-aminoethoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 103482248
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide (CID 43574807) is 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide is CN(CCCOc1ccc(N)cc1)CC(=O)NC1CC1.
What is the InChIKey of 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is LAHFESGYNSZKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(11-15(19)17-13-5-6-13)9-2-10-20-14-7-3-12(16)4-8-14/h3-4,7-8,13H,2,5-6,9-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide?
2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenoxy)propyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43574807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).